UCSF

ZINC39952593

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.63 6.24 -45.89 2 4 1 46 277.388 6
Mid Mid (pH 6-8) 2.63 8.36 -129.82 3 4 2 47 278.396 6
Lo Low (pH 4.5-6) 2.63 7.02 -40.8 2 4 1 43 277.388 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )